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Title
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Dependence of the energy of water molecules in clusters upon hydrogen bonds: a Hirshfeld study
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Author
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Abstract
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| The energy of water clusters, containing up to 20 water molecules, are partitioned into molecular contributions using the Hirshfeld method at the DFT level. The molecular energies are analyzed with respect to the hydrogen bonding network in the clusters. |
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Language
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English
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Source (journal)
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Synthesis and reactivity in inorganic and metal-organic chemistry / Kumamoto University. Department of Physics. - New York
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Publication
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New York
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2008
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ISSN
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0069-3111
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DOI
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10.1080/15533170701854163
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Volume/pages
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38
:1
(2008)
, p. 84-90
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ISI
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000253729700013
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Full text (Publisher's DOI)
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